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RESEARCH PAPERS

# Multiscale Parametric Studies on the Transport Phenomenon of a Solid Oxide Fuel Cell

[+] Author and Article Information
C. H. Cheng, Y. W. Chang

Department of Power Mechanical Engineering,  National Tsing Hua University, Hsinchu 30013, Taiwan

C. W. Hong1

Department of Power Mechanical Engineering,  National Tsing Hua University, Hsinchu 30013, Taiwancwhong@pme.nthu.edu.tw

1

Corresponding author.

J. Fuel Cell Sci. Technol 2(4), 219-225 (May 12, 2005) (7 pages) doi:10.1115/1.2039950 History: Received April 11, 2004; Revised May 12, 2005

## Abstract

This paper conducts a multiscale parametric study of temperature and composition effects on the transport phenomenon of a solid oxide fuel cell (SOFC). The molecular dynamics technique was employed to study the transport phenomenon of the solid electrolyte, which is made of yttria-stabilized zirconia. The influences of $Y2O3$ concentration and various operation temperatures on the SOFC were studied. Simulation results show that there exists an optimal concentration of $8mol%$ of $Y2O3$ in the composition for oxygen transport. Also higher operation temperature promotes the oxygen ion-hopping process that increases the ionic conductivity. A macroscale parametric study was also conducted in this paper to validate the influence of the temperature uniformity in the solid electrolyte by employing the computational fluid dynamics technique. The temperature distribution maps of a single-cell planar SOFC with coflow, counterflow and cross-flow channel designs are presented. The results conclude that the coflow configuration is the best design of the three.

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Copyright © 2005 by American Society of Mechanical Engineers
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## Figures

Figure 1

Schematic molecular structure of the YSZ electrolyte in a unit cell

Figure 2

Simulation domain and grid generation for the example planar SOFC

Figure 3

Trajectory of discrete hopping of a single oxygen ion in a 15Å×15Å×15Å system at different operating temperatures (a) T=1273K, (b) T=1759K, and (c) T=2057K

Figure 4

Distribution of discrete hopping of all oxygen ions at temperature of 1273K

Figure 5

Mean square displacement of oxygen ions at different Y2O3 concentrations (T=1273K)

Figure 6

Mean square displacement of oxygen ions at different temperatures (Y2O3=8mol%)

Figure 7

Comparison of simulation and experimental results for oxygen ion conductivity at different concentrations (2.86, 5.9, 6.93, 8.0, 9.1, 10.2, and 12.5mol%)

Figure 8

Comparison of simulation and experimental results for oxygen ion conductivity at different temperatures (1073, 1173, 1273, 1753, 2053K)

Figure 9

Radial distribution functions of the Zr–Zr ion pair at different Y2O3 concentrations

Figure 10

Radial distribution functions of the Y–Y ion pair at different Y2O3 concentrations

Figure 11

Radial distribution functions of the O–O ion pair at different Y2O3 concentrations

Figure 12

Radial distribution functions of Y–O and Zr–O ion pairs

Figure 13

Isosurfaces of temperature inside the flow channels and porous layers in both anode and cathode sides: (a) coflow, (b) counterflow, and (c) cross flow

Figure 14

Temperature distribution of the electrolyte at (a) coflow, (b) counterflow, (c) cross flow

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